2-[2-azanyl-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-azanyl-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-amino-6-[(4-phenylsulfanyl-1-piperidyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-amino-6-[[4-(phenylthio)-1-piperidinyl]amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-amino-6-[(4-phenylsulfanylpiperidin-1-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-amino-6-[[4-(phenylthio)piperidino]amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H27N7O4S MolecularWeight: 473.54858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N

InChI

InChI=1S/C21H27N7O4S/c22-21-24-18(26-27-8-6-13(7-9-27)33-12-4-2-1-3-5-12)15-19(25-21)28(11-23-15)20-17(31)16(30)14(10-29)32-20/h1-5,11,13-14,16-17,20,29-31H,6-10H2,(H3,22,24,25,26)